methyl (2S,3S)-2-acetamido-3-methylpentanoate

methyl (2S,3S)-2-acetamido-3-methylpentanoate

CAS: 2256-76-0

Formula: C9H17NO3

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)OC

IUPAC: methyl (2S,3S)-2-acetamido-3-methylpentanoate

InChI: InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t6-,8-/m0/s1

Composition: C (57.73%), H (9.15%), N (7.48%), O (25.63%)

Molar Mass: 187.239

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	187.120843411
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JPQWQTHLAKUOOA-XPUUQOCRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.31
Topological Polar Surface Area	55.4
Polarizability	19.32
Ring Count	0
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	2256-76-0		$46.75-$153.34$46.75$86.96$153.34

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